Glycoside
GD037370
Name:
IDREMCINALFormula:
C39H69O12NSmiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 743.98 | Num_heavy_atoms: | 52 |
| TPSA: | 165.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD23547
Formula: C31H55O9N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 585.78 | Num_heavy_atoms: | 41 |
| TPSA: | 138.15 | NumAromaticRings: | 0 |
